Article
Chemistry, Multidisciplinary
Yaroslav D. Boyko, Christopher J. Huck, Shang Ning, Alexander S. Shved, Cheng Yang, Tiffany Chu, Emily J. Tonogai, Paul J. Hergenrother, David Sarlah
Summary: The article discusses the structures, total syntheses, and cytotoxic activity studies of the isomalabaricanes, highlighting the importance of the core structure for their biological activity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Review
Chemistry, Medicinal
Christopher M. Woodley, Patricia S. M. Amado, Maria L. S. Cristiano, Paul M. O'Neill
Summary: Recent research has highlighted the need for fully synthetic endoperoxide-based antimalarials due to the rise of resistance to artemisinin in Southeast Asia and the synthetic limitations of the artemisinin scaffold. Various synthetic endoperoxide antimalarials utilizing different endoperoxide warheads have been explored, with two classes - 1,2,4-trioxolanes and 1,2,4,5-tetraoxanes - showing promise and still actively being developed.
MEDICINAL RESEARCH REVIEWS
(2021)
Article
Biochemistry & Molecular Biology
Anita Dudek, Maciej Spiegel, Paulina Strugala-Danak, Janina Gabrielska
Summary: This study investigates the relationship between the structure and the antiradical and antioxidant activities of three anthocyanidins and their glucosides. The results show that the glucosides have a better protective effect against membrane oxidation compared to anthocyanidins.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Inorganic & Nuclear
He-Di Yang, Sheng-Hua Zhou, Mao-Yin Ran, Xin-Tao Wu, Hua Lin, Qi-Long Zhu
Summary: This study discovered two new types of one-dimensional chain-like oxychalcogenides with wide energy gaps and excellent UV-NLO performance, exhibiting comparable comprehensive properties to commercial materials.
INORGANIC CHEMISTRY
(2022)
Article
Microbiology
Jean Guillon, Anita Cohen, Clotilde Boudot, Sarah Monic, Solene Savrimoutou, Stephane Moreau, Sandra Albenque-Rubio, Camille Lafon-Schmaltz, Alexandra Dassonville-Klimpt, Jean-Louis Mergny, Luisa Ronga, Mikel Bernabeu de Maria, Jeremy Lamarche, Cristina Dal Lago, Eric Largy, Valerie Gabelica, Serge Moukha, Pascale Dozolme, Patrice Agnamey, Nadine Azas, Catherine Mullie, Bertrand Courtioux, Pascal Sonnet
Summary: A series of novel 2,9-bis[(substituted-aminomethyl)]-4,7-phenyl-1,10-phenanthroline derivatives were designed, synthesized, and evaluated for their anti-protozoan activity. The results showed promising activity against Plasmodium falciparum, Leishmania donovani, and Trypanosoma brucei brucei, with low cytotoxicity against human HepG2 cells.
Article
Biochemistry & Molecular Biology
Abdul-Quddus Kehinde Oyedele, Temitope Isaac Adelusi, Abdeen Tunde Ogunlana, Rofiat Oluwabusola Adeyemi, Opeyemi Emmanuel Atanda, Musa Oladayo Babalola, Mojeed Ayoola Ashiru, Isong Josiah Ayoola, Ibrahim Damilare Boyenle
Summary: In the majority of malignancies, the p53 tumor suppressor pathway is compromised. This study identified potential therapeutic candidates by virtual screening and molecular docking to discover inhibitors with high binding affinity for MDM2, a protein that interacts with and degrades p53. Among the compounds screened, CID_140017825 showed the best pharmacological properties and has the potential to become a promising chemical entity for cancer therapy.
JOURNAL OF MOLECULAR MODELING
(2022)
Article
Biochemistry & Molecular Biology
Yasir Nazir, Hummera Rafique, Naghmana Kausar, Qamar Abbas, Zaman Ashraf, Pornchai Rachtanapun, Kittisak Jantanasakulwong, Warintorn Ruksiriwanich
Summary: In this study, hydroxyl-substituted benzoic and cinnamic acid scaffolds were incorporated into new chemotypes to identify anti-melanogenic ingredients targeting tyrosinase. The compound Ph9 showed significant inhibitory effects against mushroom tyrosinase, making it a potential candidate for further development of tyrosinase inhibitors.
Article
Chemistry, Medicinal
Povilas Kavaliauskas, Felipe Stambuk Opazo, Waldo Acevedo, Ruta Petraitiene, Birute Grybaite, Kazimieras Anusevicius, Vytautas Mickevicius, Sergey Belyakov, Vidmantas Petraitis
Summary: In this paper, the authors develop naphthoquinone derivatives with selective anticancer activity against NSCLC through a COX-2 mediated pathway. Compounds 9 and 16 demonstrate the most promising anticancer activity and show lower cytotoxicity to non-cancerous cells. Further studies are needed to understand the safety and in vivo efficacy of these compounds.
Article
Biochemistry & Molecular Biology
Simone Mulliri, Aatto Laaksonen, Pietro Spanu, Riccardo Farris, Matteo Farci, Francesco Mingoia, Giovanni N. Roviello, Francesca Mocci
Summary: This study combined experimental and in silico approaches to investigate the interaction between a series of PBTs derivatives and G-quadruplex DNA. The results showed that two out of the eight compounds induced a slight stabilizing effect on GQ, depending on the nature and position of the substituents. Additionally, Molecular Dynamics simulations at high temperatures were proposed for the first time as a means to verify the stabilizing or destabilizing effect of ligands on the GQ structure.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Mabrouk Horchani, Gerardo Della Sala, Alessia Caso, Federica D'Aria, Germana Esposito, Ilaria Laurenzana, Concetta Giancola, Valeria Costantino, Hichem Ben Jannet, Anis Romdhane
Summary: Chemotherapy is commonly used for cancer treatment, but there is a need for novel and effective anticancer drugs due to chemoresistance and tumor relapses. A series of pyrazolo[3,4-d]pyrimidin-4(5H)-ones tethered with hydrazide-hydrazones were synthesized and showed promising antiproliferative effects, with certain compounds exhibiting cytotoxic activity through apoptosis induction and cell-cycle arrest. Molecular docking studies confirmed high binding affinity of these compounds towards epidermal growth factor receptor (EGFR) and G-quadruplex DNA structures.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Mohamed Mokhtar Mohamed Abdelahi, Youness El Bakri, Chin-Hung Lai, Karthikeyan Subramani, El Hassane Anouar, Sajjad Ahmad, Mohammed Benchidmi, Joel T. Mague, Jelena Popovic-Djordjevic, Souraya Goumri-Said
Summary: An efficient pathway for the synthesis of 3-chloro-6-nitro-1H-indazole derivatives was disclosed. The compounds showed promising antileishmanial activity, especially compound 13, which exhibited good binding stability with Leishmania trypanothione reductase enzyme through hydrophobic and hydrophilic interactions. These compounds can be further optimized to enhance their antileishmanial activity.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Amani Toumi, Sarra Boudriga, Yasmine M. Mandour, Ahmed A. Mekki, Michael Knorr, Carsten Strohmann, Jan-Lukas Kirchhoff, Mansour Sobeh
Summary: Despite the effectiveness of COVID-19 vaccines, there is still a need for new anti-viral drugs. In this study, a library of spirooxindolopyrrolidine-grafted piperidones was evaluated for their ability to inhibit the main protease of SARS-CoV-2. Three compounds showed stable binding to the protease and could be potential inhibitors for COVID-19 treatment.
Article
Chemistry, Physical
Ishfaq Ahmad Rather, Ufana Riaz, Rashid Ali
Summary: UV-vis spectroscopy and TD-DFT calculations were used to investigate the anion binding of meso-substituted one-walled phthalimide-based calix[4]pyrrole (m-PC4P, 6) in acetonitrile. The results showed that m-PC4P (6) exhibited higher anion binding affinities compared to the parent C4P system, possibly due to additional weak CH-anion interactions besides four NH-hydrogen bonds of the C4P framework. The binding affinity decreased with the increase in halide size from fluoride to iodide, and m-PC4P (6) showed better binding with nitrate anion compared to simple C4P (1).
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Pharmacology & Pharmacy
Tawanny K. B. Aguiar, Nilton A. S. Neto, Cleverson D. T. Freitas, Ayrles F. B. Silva, Leandro P. Bezerra, Ellen A. Malveira, Levi A. C. Branco, Felipe P. Mesquita, Gustavo H. Goldman, Luciana M. R. Alencar, Jose T. A. Oliveira, Ralph Santos-Oliveira, Pedro F. N. Souza
Summary: In this study, synthetic antimicrobial peptides (SAMPs) were found to have antifungal effects on Cryptococcus neoformans. The SAMPs inhibited fungal growth by damaging the cell membrane and inducing DNA degradation. These findings suggest that SAMPs could be potential alternative molecules for controlling C. neoformans growth and treating cryptococcal infection.
Article
Chemistry, Multidisciplinary
Baptiste Lecachey, Laetitia Palais, Benoit de Courcy, Samira Bouauli, Muriel Durandetti, Hassan Oulyadi, Anne Harisson-Marchand, Jacques Maddaluno, Helene Gerard, Emmanuel Vrancken, Jean-Marc Campagne
Summary: This study investigates the reaction of a silyl dienolate, a Cu(II) salt and TBAT to form the corresponding copper dienolate, revealing the role of TBAT in Cu(II) to Cu(I) reduction and the structure of the precatalytic species. Through NMR and theoretical studies, the structure and formation mechanism of the copper dienolate catalytic species are determined, showing that the copper catalyst promotes the E/Z s-cis/s-trans equilibration of the silyl dienolate precursor. These results unveil unique aspects of the catalytic and asymmetric vinylogous Mukaiyama reaction.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Lajos Kovacs
Summary: Nucleic acids are crucial for life processes. The synthesis of analogues and investigation of their properties have provided insights into the essential characteristics of these building blocks. The accidental discovery of a side reaction led to the development of a new peptide sequencing method. The study of guanine derivatives and their properties further advanced the understanding of supramolecular systems composed of purine analogues.
Article
Biochemistry & Molecular Biology
Zoltan Szeltner, Gyorgyi Ferenc, Tunde Juhasz, Zoltan Kupihar, Zoltan Varadi, David Szuts, Lajos Kovacs
Summary: In this study, a nucleoside analogue was synthesized and inserted into oligonucleotide structures for investigating the stability and helicase activity of guanine quadruplexes (G4s). The results showed that the modified structures maintained partial stability in G4s, but had significant effects on fully replaced structures. Additionally, the study revealed that other analogues might also influence the stability of cellular DNA and RNA quadruplexes.
Article
Education & Educational Research
Gabor Orosz, Veronika Nemeth, Lajos Kovacs, Zoltan Somogyi, Erzsebet Korom
Summary: Guided inquiry-based learning is a promising method for science education, but it is rarely used in chemistry teaching in Hungary due to the lack of tried-and-tested teaching materials. This study tested a guided inquiry-based chemistry task with 9th-grade students in Hungary and found that appropriate scaffolding is necessary for students new to the method. The most critical steps in the learning process were formulating hypotheses, recording observations, and evaluating hypotheses based on evidence.
CHEMISTRY EDUCATION RESEARCH AND PRACTICE
(2023)
Article
Chemistry, Multidisciplinary
Bryan Phuti Moloto, Pascal Vermeeren, Marco Dalla Tiezza, Tessel Bouwens, Catharine Esterhuysen, Trevor A. Hamlin, F. Matthias Bickelhaupt
Summary: In this study, the activation of H(n)A-AH(n) bonds (AH(n) = CH3, NH2, OH, F) by PdLn catalysts with different ligands (L-n = no ligand, PH3, (PH3)(2)) was investigated using relativistic density functional theory. The results show that the activation energy for oxidative addition decreases from H3C-CH3 to H2N-NH2 to HO-OH, and the activation of the F-F bond is barrierless. The enhanced reactivity along this series of substrates is attributed to the combination of reduced activation strain, decreased Pauli repulsion, and enhanced backbonding interaction between the palladium catalyst and the substrate.
PURE AND APPLIED CHEMISTRY
(2023)
Article
Pharmacology & Pharmacy
Zoltan Kupihar, Gyorgyi Ferenc, Vencel L. Petrovicz, Viktoria R. Fay, Lajos Kovacs, Tamas A. Martinek, Zsofia Hegedus
Summary: Oligonucleotide conjugates are versatile scaffolds that can be used in various applications, such as DNA-based screening platforms and therapeutics. Different chemical approaches are available for functionalizing oligonucleotides, usually at the 5' or 3' end. Modifying oligonucleotides in the middle of the sequence allows for ligation and the creation of DNA strands with multiple ligands. In this study, a complete workflow was established for the synthesis and application of thiol-modified thymidine nucleoside phosphoramidite to prepare ligatable oligonucleotide conjugates. The conjugations were performed in solution and on solid phase, resulting in multivalent oligonucleotides decorated with tissue-targeting peptides through templated ligation.
Article
Chemistry, Multidisciplinary
Celine Nieuwland, Siebe Lekanne Deprez, Claris de Vries, Celia Fonseca Guerra
Summary: Our quantum chemical analyses revealed that replacing O with the larger chalcogens S and Se in benzene-1,3,5-tricarboxamides (OBTAs) enhances intermolecular interactions and increases the stability of hydrogen-bonded supramolecular polymers due to improved geometry for self-assembly and enhanced covalent interactions. Additionally, the cooperativity in benzene-1,3,5-triamide (BTA) self-assembly is attributed to charge separation in the sigma-electronic system following the covalency in the hydrogen bonds.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Thomas Hansen, Pascal Vermeeren, Kim W. J. Zijderveld, F. Matthias Bickelhaupt, Trevor A. A. Hamlin
Summary: The influence of ring strain on the competition between the S(N)2 and E2 pathways has been studied using quantum chemical methods. It was found that increasing ring strain decreases the activation energy of the S(N)2 pathway but generally increases the activation energy of the E2 pathway. This results in a mechanistic switch in the preferred reaction pathway for strong Lewis bases, favoring S(N)2 for small cyclic substrates and E2 for large cyclic substrates.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Jie Jian, Roel Hammink, Paul Tinnemans, F. Matthias Bickelhaupt, Jordi Poater, Jasmin Mecinovic
Summary: In this study, the noncovalent interactions between the tetrazole ring and neighboring aromatic ring substituents were investigated through synthetic, spectroscopic, structural, and quantum chemical analyses. The results showed that through-space NH-π interactions and π-π interactions contribute to the trends of pKa values and proton affinities of 2-arylphenyl-1H-tetrazoles. These findings are important for the rational design of tetrazole-based drugs and materials.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Physical
Humberto A. Rodriguez, F. Matthias Bickelhaupt, Israel Fernandez
Summary: The Burgi-Dunitz (BD) angle is essential in organic chemistry for understanding nucleophilic addition to carbonyl groups. However, the origin of the obtuse trajectory of the nucleophile is still not fully understood. This study quantifies the importance of physical factors quantum chemically to explain the obtuse BD angle. The obtuse angle is a result of reduced Pauli repulsion, a more stabilizing HOMO-π*-LUMO(C=O) interaction, and a favorable electrostatic attraction.
Article
History & Philosophy Of Science
Lajos Kovacs
Summary: The maverick American chemist Russell Earl Marker is famous for his research in the fragmentation of organic mercury compounds, the establishment of the octane number concept, the investigation of hydrocarbon rearrangements, and the exploration of the relationship between optical rotation and the configuration of organic compounds. His greatest achievement lies in the development of important isolation and synthesis methods for natural products, which laid the foundation for a new industry based on pharmaceutical chemistry of steroids. His unconventional life demonstrates that obstacles in scientific and technological progress can be overcome by serendipity, insight, and dedication. However, his premature retirement serves as a warning that even the toughest scientist's perseverance can waver if conditions worsen.
NOTES AND RECORDS-THE ROYAL SOCIETY JOURNAL OF THE HISTORY OF SCIENCE
(2023)
Article
Chemistry, Physical
Lucas de Azevedo Santos, Storm van Der Voort, Shiri R. Burema, Celia Fonseca Guerra, F. Matthias Bickelhaupt
Summary: The atypical blueshift in hydrogen-bonded complexes X•••H3C-Y compared to Cl•••H3N and Cl•••H3C-H is found to originate from a direct X•••C interaction, rather than H-C bond contraction. This blueshift acts as a diagnostic for tetrel bonding, with redshift more commonly found in systems involving direct X•••H hydrogen bonds.
Article
Chemistry, Multidisciplinary
Celine Nieuwland, Pascal Vermeeren, F. Matthias Bickelhaupt, Celia Fonseca Guerra
Summary: The symmetry-decomposed Voronoi deformation density (VDD) charge analysis is a useful computational tool in chemistry that allows the quantification of atomic charge flow and the understanding of chemical bonding. It can decompose the charge flow into different types of orbital interactions and different irreducible representations of point-group symmetry. This method is now also applicable to interacting open-shell molecular fragments, providing detailed insights into chemical bonding beyond what is accessible from energy decomposition analysis (EDA).
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Celine Nieuwland, David Almacellas, Mac M. Veldhuizen, Lucas de Azevedo Santos, Jordi Poater, Celia Fonseca Guerra
Summary: Non-frontier atom exchanges in hydrogen-bonded aromatic dimers can cause significant changes in interaction energy, which are related to charge accumulation in the monomers.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Organic
David Almacellas, Celia Fonseca Guerra, Jordi Poater
Summary: This study designs a new hydrogen-bonded rosette structure to enhance the stability of supramolecular systems through increased cooperative effects. Relativistic dispersion-corrected density functional theory calculations show that this rosette structure has shorter bond lengths, stronger donor-acceptor interactions, and more attractive electrostatic interactions.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Zihan Ma, Lishuang Wang, Tingting Chen, Guangning Wang
Summary: In this study, two kinds of 3D self-doped (N/O) lilac-based and coriander-based porous carbons with high performance have been prepared.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Qin Wang, Yun-Fan Yan, Jiao-Lin Weng, Ying Huang, Fu Yang, Hao-Hui Xie, Fei Tan, Fa-Kun Zheng, Jian-Gang Xu
Summary: Balancing energy and mechanical sensitivities is a challenging issue in the field of energetic materials. This study constructed a 3D energetic metal-organic framework with nitrogen-rich ligand and NO3- anions. The framework demonstrated high stability, energy density, and excellent mechanical sensitivities, making it a potential insensitive energetic material.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Marrium Saeed, Urooj Kamran, Amina Khan, Md Irfanul Haque Siddiqui, Hasan Jamal, Haq Nawaz Bhatti
Summary: In this study, magnesium-aluminum layered double hydroxides (Mg-Al-LDH) were synthesized using an environmentally friendly hydrothermal technique for adsorbing the dye reactive green 5 (RG5). To improve the adsorption capability, composites were prepared by combining Mg-Al-LDH with low-cost Mangifera indica stone biomass (MISB). The results showed that the composites had high adsorption capacities for RG5 dye and could be regenerated.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Xuanlin Zhan, Xiaojie Li, Yunyan Zeng, Siyan Jiang, Chao Pan, Shiyu Pan, Jiaquan Huang, Heqian Zhang, Zhiwei Qin
Summary: This study reports on the potential prospects of natural products derived from the rhizosphere for the development of antibiotics and herbicides, as well as the advancements in cultivating a mutant strain that produces a substantial quantity of lydicamycins, a potent family for herbicide development.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Jie Zhu, Jiangtao Yu, Linhua Zhu, Xiaoxiao Yu, Jixing Liu, Yanhong Chao, Jingzhou Yin, Peiwen Wu, Jian Liu, Wenshuai Zhu
Summary: This study successfully demonstrates the 3D printing of attapulgite monoliths and investigates the influence of thermal treatment on their properties. The thermal treated monoliths show superior catalytic performance at low temperatures.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yanzhu Ye, Yixiang Ye, Jiannan Cai, Zhongshui Li, Shen Lin
Summary: In this paper, a novel Pt/CoP/C photo-electro synergistic catalyst was successfully synthesized and its performance was investigated. The catalyst exhibited excellent photo-electro catalytic performance, with significantly higher hydrogen production compared to a commercial catalyst. The introduction of cobalt phosphide and the existence of Co3O4 were identified as key factors for enhancing the catalytic activity.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nurul Hidayah Abu Bakar, Wan Norfazilah Wan Ismail, Hartina Mohd Yusop, Noreen Farzuhana Mohd Zulkifli
Summary: Hydrophobic coatings inspired by the lotus effect have gained popularity for their ability to solve various problems. The sol-gel method, utilizing silica, alumina, and titania, is explored as an environmentally friendly approach to produce water-based hydrophobic coatings. This study focuses on producing water-based hydrophobic coatings for cotton and polyester fabrics using a one-step sol-gel method. The coated fabrics exhibited improved hydrophobic properties, altered surface morphologies, and lower air permeability compared to uncoated fabrics. TEOS-PDMS coating provides a promising approach for enhancing the hydrophobic and surface properties of cotton and polyester fabrics.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nikita Belko, Hanna Maltanava, Anatol Lugovski, Polina Shabunya, Sviatlana Fatykhava, Evgeny Bondarenko, Pavel Chulkin, Sergey Poznyak, Michael Samtsov
Summary: This study investigates the difference in electrochemical behavior between rhodamine B hydrazide and rhodamine B acylhydrazone, and finds that rhodamine B acylhydrazone exhibits higher reversibility in electrooxidation. These results can be applied for developing new sensors with desired electrochemical properties.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Showket Ahmad Bhat, Mohd Ikram
Summary: In this study, 0-3 particulate multiferroic composites were synthesized and characterized. The composites exhibited excellent ferroelectric and ferromagnetic properties, as well as high piezoelectric strain and magnetoelectric coupling effects.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Carla Gomes, Mariana Costa, Susana M. M. Lopes, Bernardo Albuquerque Nogueira, Rui Fausto, Jose A. Paixao, Teresa M. V. D. e Melo, Luisa M. D. R. S. Martins, Marta Pineiro
Summary: The development of sustainable processes requires the integration of green chemistry principles. In this study, a solvent-free synthesis method was developed to prepare new copper catalysts, which efficiently catalyze cycloaddition reactions under solvent-free mechanochemical conditions. Through this process, the principles of atom economy, reduction of solvents and auxiliaries, design for energy efficiency, and reduction of derivatives and catalysis are combined.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Zhihua Liu, Jinzhe Li, Jianguo Zhou
Summary: This study demonstrates the enhancement of photoelectrochemical activity of BiFeO3 photoelectrodes through ion modification, which increases visible light absorption and active area, leading to improved PEC water splitting performance.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yisheng Zhang, Wensong Li, Jing Li, Fang Li, Wei Xue, Xinqiang Zhao, Yanji Wang
Summary: Pt/C and SO42-/ZrO2 were used as catalysts for the synthesis of p-aminophenol through the catalytic transfer hydrogenation of nitrobenzene in water with formic acid as the hydrogen source. The optimal Pt loading for PAP selectivity was found to be 1 wt%. The presence of different valence states of Pt affected both the nitrobenzene hydrogenation and formic acid decomposition. Among different solid acid catalysts tested, SO42-/ZrO2 exhibited the highest catalytic activity for p-aminophenol formation. Under the optimized reaction conditions, the conversion of nitrobenzene reached 80.0%, with a selectivity of 47.6% for p-aminophenol.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Pradyota Kumar Behera, Papita Behera, Amlan Swain, Santosh Kumar Sahu, Ajeena Sahoo, Laxmidhar Rout
Summary: We have developed a simple and direct method for the synthesis of diaryl ether using an oxygen bridged bimetallic CuMoO4 nanocatalyst under mild reaction conditions. The catalyst exhibited tolerance towards a wide range of substrates with various functional groups. It is efficient and recyclable. This methodology allows easy access to nitrofen derivatives (herbicides) from unactivated 2,4-dichlorophenol, which are important for agriculture and pharmaceuticals.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Yihua Fu, Yan Zhang, Changwei Hu, Zhishan Su
Summary: The mechanism of the reaction between CO2 and styrene oxide for cyclic carbonate was revealed using density functional theory calculations. The noncatalytic reaction occurred via a concerted mechanism, while in the presence of guanidine and tetrabutylammonium iodide (TBAI) co-catalysts, the epoxide ring-opening by nucleophilic attack of an iodide anion was predicted to be the rate-determining step. Guanidine acted as the H-bond donor to activate styrene oxide, facilitating the reaction with a lower activation barrier.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Saikat Khamarui, Sirshendu Ghosh
Summary: Copper nanorods (Cu-NRs) exhibit significant plasmonic behavior and can act as efficient catalysts in redox processes and coupling. A benign decarboxylative approach, utilizing localized surface plasmon resonance (LSPR) assisted catalysis with Cu-NRs, has been developed for the production of alkane analogues from alkyl carboxylic acids under visible light. The catalyst shows a broad substrate scope and high functional group tolerance, without the need for an external oxidant or proton source. A plausible mechanism for this recyclable nano-catalyst has also been proposed based on control experiments.
NEW JOURNAL OF CHEMISTRY
(2024)
